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UNKNOWN STEREO
MCULE-1805929335-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 55 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-1805929335-0.sdf |
| SMILES | MCULE-1805929335-0.smiles |
| Standard InChI | MCULE-1805929335-0.inchi |
| InChIKey | MCULE-1805929335-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-10677695 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
| P-492272418 | Eximed | Building Block Catalog | 95 | As is | 1.94 g |
| P-666702983 | Eximed | In-stock screening compounds | 90 | As is | 710 mg |
| P-428585022 | Eximed | In-stock screening compounds | 90 | As is | 1.94 g |
| P-502682919 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-870579767 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-26491557 | Otava | In-House Stock Library | 90 | As is | 1.94 g |
| P-620227548 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.94 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.778 |
| logP | 3.5893 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 73.1545 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
